2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid

C23H23N3O3 — CID 50983597

IUPAC2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid
SMILESCc1ccc(-c2nc(N3CCOCC3)ncc2-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-2-6-19(7-3-16)22-20(18-8-4-17(5-9-18)14-21(27)28)15-24-23(25-22)26-10-12-29-13-11-26/h2-9,15H,10-14H2,1H3,(H,27,28)
InChIKeyFLPZQNJKOOLJAX-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.58
Rot. Bonds5

About 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid

2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid (PubChem CID 50983597) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid
PubChem CID50983597
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid
SMILESCc1ccc(-c2nc(N3CCOCC3)ncc2-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-2-6-19(7-3-16)22-20(18-8-4-17(5-9-18)14-21(27)28)15-24-23(25-22)26-10-12-29-13-11-26/h2-9,15H,10-14H2,1H3,(H,27,28)
InChIKeyFLPZQNJKOOLJAX-UHFFFAOYSA-N
XLogP3.58
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid (CID 50983597) is 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid is Cc1ccc(-c2nc(N3CCOCC3)ncc2-c2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid?
The InChIKey is FLPZQNJKOOLJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-2-6-19(7-3-16)22-20(18-8-4-17(5-9-18)14-21(27)28)15-24-23(25-22)26-10-12-29-13-11-26/h2-9,15H,10-14H2,1H3,(H,27,28).
What are the key properties of 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid?
2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid has a molecular weight of 389.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-5-yl]phenyl]acetic acid is sourced from PubChem (CID 50983597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).